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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 2POC | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
2 | 2PUV | - | M6R | C6 H16 N O8 P | C([C@H]([C.... |
3 | 2PUT | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
4 | 2ZJ3 | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
5 | 2ZJ4 | - | AGP | C6 H16 N O8 P | C([C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2POC | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
2 | 2PUV | - | M6R | C6 H16 N O8 P | C([C@H]([C.... |
3 | 2PUT | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
4 | 1MOQ | Ki = 0.35 mM | GLP | C6 H14 N O8 P | C([C@@H]1[.... |
5 | 1MOS | - | AGP | C6 H16 N O8 P | C([C@@H]([.... |
6 | 1MOR | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
7 | 4AMV | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
8 | 2J6H | - | G6Q | C6 H13 O9 P | C([C@H]([C.... |
9 | 6SVO | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
10 | 6R4F | - | G6Q | C6 H13 O9 P | C([C@H]([C.... |
11 | 6R4E | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
12 | 6R4H | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
13 | 2ZJ3 | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
14 | 2ZJ4 | - | AGP | C6 H16 N O8 P | C([C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M6R | 1 | 1 |
2 | AGP | 1 | 1 |
3 | M2P | 0.666667 | 0.761905 |
4 | GOS | 0.666667 | 0.761905 |
5 | S6P | 0.621622 | 0.804878 |
6 | DX5 | 0.552632 | 0.785714 |
7 | LXP | 0.552632 | 0.785714 |
8 | A5P | 0.552632 | 0.785714 |
9 | G6Q | 0.52381 | 0.72093 |
10 | LX1 | 0.512821 | 0.72093 |
11 | LG6 | 0.511628 | 0.704545 |
12 | 6PG | 0.511628 | 0.704545 |
13 | I22 | 0.488889 | 0.767442 |
14 | KD0 | 0.478261 | 0.704545 |
15 | TX4 | 0.47619 | 0.770833 |
16 | DG6 | 0.47619 | 0.767442 |
17 | R5P | 0.47619 | 0.72093 |
18 | R52 | 0.47619 | 0.72093 |
19 | HG3 | 0.472222 | 0.690476 |
20 | FQ8 | 0.466667 | 0.767442 |
21 | PA5 | 0.465116 | 0.704545 |
22 | R10 | 0.465116 | 0.704545 |
23 | H4P | 0.458333 | 0.844444 |
24 | PAI | 0.45098 | 0.75 |
25 | 9C2 | 0.446809 | 0.76 |
26 | TG6 | 0.444444 | 0.767442 |
27 | F6R | 0.444444 | 0.767442 |
28 | 4TP | 0.44186 | 0.863636 |
29 | PSE | 0.435897 | 0.853659 |
30 | LRY | 0.431373 | 0.787234 |
31 | 2FP | 0.425532 | 0.744186 |
32 | PAN | 0.425532 | 0.74 |
33 | P6F | 0.425532 | 0.744186 |
34 | P6T | 0.425532 | 0.744186 |
35 | G3P | 0.421053 | 0.756098 |
36 | 1GP | 0.421053 | 0.756098 |
37 | 1NT | 0.415094 | 0.704545 |
38 | E4P | 0.414634 | 0.674419 |
39 | 5SP | 0.4 | 0.75 |
40 | HMS | 0.4 | 0.75 |
41 | 52L | 0.4 | 0.72 |
42 | 5RP | 0.4 | 0.75 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D6P | 0.9191 |
2 | VFM | 0.9091 |
3 | IPE | 0.9018 |
4 | PAU | 0.9007 |
5 | RES | 0.9002 |
6 | AZM | 0.8994 |
7 | M28 | 0.8988 |
8 | DED | 0.8987 |
9 | G6P | 0.8981 |
10 | D8X | 0.8955 |
11 | MZM | 0.8940 |
12 | 3LJ | 0.8920 |
13 | GLP | 0.8885 |
14 | 1VQ | 0.8853 |
15 | HSA | 0.8850 |
16 | CXA | 0.8842 |
17 | IPR | 0.8836 |
18 | I58 | 0.8835 |
19 | S8G | 0.8835 |
20 | BG6 | 0.8835 |
21 | BGP | 0.8826 |
22 | PMV | 0.8818 |
23 | M3L | 0.8810 |
24 | 3CX | 0.8789 |
25 | VFJ | 0.8786 |
26 | 8V8 | 0.8770 |
27 | DER | 0.8767 |
28 | NFZ | 0.8765 |
29 | VFG | 0.8756 |
30 | IPL | 0.8754 |
31 | CT0 | 0.8753 |
32 | EFF | 0.8750 |
33 | GHQ | 0.8744 |
34 | DI9 | 0.8743 |
35 | PTB | 0.8739 |
36 | J5B | 0.8729 |
37 | D1Y | 0.8719 |
38 | AJ1 | 0.8716 |
39 | 6C5 | 0.8715 |
40 | 49P | 0.8708 |
41 | EUH | 0.8706 |
42 | 0QA | 0.8703 |
43 | BVS | 0.8694 |
44 | MRU | 0.8691 |
45 | NK5 | 0.8687 |
46 | KAP | 0.8684 |
47 | GGG | 0.8680 |
48 | EQA | 0.8679 |
49 | PTR | 0.8677 |
50 | 657 | 0.8676 |
51 | 0K7 | 0.8674 |
52 | DMA | 0.8672 |
53 | 2J3 | 0.8668 |
54 | TBJ | 0.8657 |
55 | 3VR | 0.8654 |
56 | IBP | 0.8653 |
57 | R8Y | 0.8645 |
58 | JGY | 0.8640 |
59 | 6FG | 0.8640 |
60 | EPE | 0.8638 |
61 | YI6 | 0.8634 |
62 | 5TO | 0.8632 |
63 | HWH | 0.8627 |
64 | 6MW | 0.8626 |
65 | 0O3 | 0.8624 |
66 | DEZ | 0.8623 |
67 | BGT | 0.8622 |
68 | 5LD | 0.8621 |
69 | RGP | 0.8617 |
70 | UN3 | 0.8609 |
71 | S7P | 0.8608 |
72 | BSA | 0.8603 |
73 | HMZ | 0.8600 |
74 | G1P | 0.8599 |
75 | PHQ ALA | 0.8597 |
76 | P93 | 0.8596 |
77 | IGP | 0.8578 |
78 | EP1 | 0.8578 |
79 | HPF | 0.8573 |
80 | CPM | 0.8572 |
81 | DG2 | 0.8571 |
82 | FZ0 | 0.8555 |
83 | 6FR | 0.8530 |
84 | ARG | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 2zj3.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2zj3.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |